==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-09 3GUP . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 324 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 3 1 2 4 2 0 0 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 56 0, 0.0 2,-0.3 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 147.0 -1.6 -15.1 50.8 2 2 A N > - 0 0 16 156,-0.0 4,-2.7 232,-0.0 5,-0.2 -0.934 360.0 -80.4-162.6 176.4 -4.0 -14.6 53.7 3 3 A I H > S+ 0 0 10 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.824 125.8 52.5 -63.1 -31.9 -4.1 -12.9 57.1 4 4 A F H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 112.6 43.1 -68.9 -48.3 -2.2 -15.7 58.8 5 5 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.901 113.4 54.2 -61.2 -38.7 0.6 -15.7 56.4 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.944 112.1 41.6 -58.9 -54.3 0.7 -11.9 56.5 7 7 A L H X>S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.7 0.877 109.0 59.4 -68.6 -32.9 1.1 -11.7 60.2 8 8 A R H X5S+ 0 0 95 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.926 109.4 45.4 -60.2 -37.5 3.5 -14.6 60.2 9 9 A I H <5S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 118.8 40.8 -68.4 -42.7 5.7 -12.5 57.9 10 10 A D H <5S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.880 129.9 24.9 -77.2 -38.5 5.3 -9.3 60.0 11 11 A E H <5S- 0 0 16 -4,-3.0 19,-0.4 -5,-0.2 -3,-0.2 0.704 92.8-159.1 -96.5 -28.8 5.6 -10.7 63.5 12 12 A G << - 0 0 27 -4,-1.3 2,-0.4 -5,-0.7 18,-0.2 -0.102 26.9 -79.8 64.9-171.0 7.6 -13.8 62.8 13 13 A L + 0 0 79 16,-0.2 2,-0.4 -4,-0.1 16,-0.2 -0.991 46.7 169.5-131.8 122.6 7.6 -16.8 65.2 14 14 A R E -A 28 0A 165 14,-1.7 14,-2.0 -2,-0.4 4,-0.1 -0.986 23.6-154.0-131.7 143.5 9.7 -17.1 68.4 15 15 A L E S+ 0 0 69 -2,-0.4 43,-1.7 12,-0.2 2,-0.3 0.516 73.8 56.8-104.9 3.3 9.4 -19.7 71.1 16 16 A K E S-C 57 0B 149 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.923 97.3 -79.2-126.8 156.7 10.8 -17.8 74.1 17 17 A I E + 0 0 24 39,-1.0 2,-0.3 -2,-0.3 10,-0.2 -0.180 55.6 165.7 -49.4 127.5 9.8 -14.5 75.8 18 18 A Y E -A 26 0A 37 8,-3.2 8,-2.4 6,-0.1 2,-0.5 -0.943 40.3-105.0-134.8 163.1 11.0 -11.3 74.0 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.790 37.8-141.7 -84.4 133.3 10.3 -7.6 74.1 20 20 A D > - 0 0 26 4,-2.4 3,-0.9 -2,-0.5 -1,-0.0 -0.142 36.6 -86.2 -78.8-177.7 8.3 -6.5 71.1 21 21 A a T 3 S+ 0 0 32 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.640 132.0 54.9 -66.9 -14.9 8.9 -3.2 69.3 22 22 A E T 3 S- 0 0 44 2,-0.2 -1,-0.2 120,-0.1 120,-0.0 0.655 120.3-111.0 -86.6 -18.3 6.6 -1.5 71.8 23 23 A G S < S+ 0 0 37 -3,-0.9 2,-0.3 1,-0.3 -2,-0.1 0.597 74.1 129.5 98.1 17.7 8.7 -2.8 74.7 24 24 A Y - 0 0 69 1,-0.0 -4,-2.4 9,-0.0 -1,-0.3 -0.792 68.6 -94.1-106.6 149.2 6.2 -5.3 76.1 25 25 A Y E +AB 19 34A 36 9,-0.6 8,-3.0 11,-0.4 9,-1.1 -0.435 56.8 165.6 -66.0 130.9 6.8 -9.0 76.9 26 26 A T E +AB 18 32A 2 -8,-2.4 -8,-3.2 6,-0.3 2,-0.2 -0.877 15.6 179.2-149.3 150.5 5.7 -11.1 73.9 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.2 -2,-0.3 -12,-0.2 -0.937 51.9 12.4-150.0 174.7 6.1 -14.8 72.5 28 28 A G E 4 S-A 14 0A 1 -14,-2.0 -14,-1.7 -2,-0.2 2,-1.0 -0.393 125.7 -8.7 55.8-129.7 5.1 -17.0 69.5 29 29 A I T 4 S- 0 0 6 34,-0.3 -1,-0.2 -16,-0.2 -16,-0.2 -0.732 129.1 -50.3 -99.7 79.3 3.6 -15.0 66.7 30 30 A G T 4 S+ 0 0 11 -2,-1.0 2,-0.6 -19,-0.4 -2,-0.2 0.682 83.0 167.8 71.4 20.4 3.3 -11.6 68.2 31 31 A H E < -B 27 0A 26 -4,-2.2 -4,-1.5 1,-0.1 2,-0.4 -0.560 29.3-141.3 -76.8 115.9 1.5 -12.8 71.3 32 32 A L E -B 26 0A 71 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.582 19.0-176.6 -73.9 123.2 1.4 -10.0 74.0 33 33 A L E - 0 0 11 -8,-3.0 2,-0.3 -2,-0.4 -7,-0.2 0.947 60.2 -32.0 -86.9 -49.0 1.9 -11.5 77.4 34 34 A T E -B 25 0A 30 -9,-1.1 -9,-0.6 2,-0.1 -1,-0.4 -0.976 34.9-133.5-161.0 159.6 1.5 -8.4 79.6 35 35 A K S S+ 0 0 114 -2,-0.3 7,-0.0 -11,-0.1 -1,-0.0 0.377 74.6 119.6 -96.9 3.8 2.1 -4.6 79.6 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.390 68.8-138.2 -63.8 137.7 3.6 -5.2 83.1 37 37 A P S S+ 0 0 114 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.517 78.7 99.5 -71.7 -4.2 7.3 -4.2 83.4 38 38 A D >> - 0 0 75 1,-0.1 4,-1.1 -13,-0.0 3,-0.8 -0.779 61.4-158.1-102.0 116.8 7.7 -7.4 85.4 39 39 A L H 3> S+ 0 0 66 -2,-0.6 4,-2.1 1,-0.2 5,-0.1 0.772 94.7 60.1 -58.2 -30.7 9.2 -10.5 83.8 40 40 A N H 3> S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 102.6 51.1 -65.7 -35.8 7.6 -12.7 86.5 41 41 A A H <> S+ 0 0 25 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.786 110.9 49.4 -69.5 -29.3 4.1 -11.5 85.5 42 42 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.858 110.6 49.9 -74.9 -38.6 4.9 -12.4 81.8 43 43 A K H X S+ 0 0 89 -4,-2.1 4,-1.9 2,-0.2 13,-0.3 0.868 112.8 45.9 -70.9 -33.7 6.1 -15.8 82.8 44 44 A S H X S+ 0 0 66 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 111.2 52.9 -75.9 -42.5 3.0 -16.5 84.8 45 45 A E H X S+ 0 0 64 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.881 106.9 53.3 -58.3 -39.4 0.9 -15.1 82.0 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.962 111.5 45.3 -60.3 -48.4 2.7 -17.6 79.5 47 47 A D H X>S+ 0 0 35 -4,-1.9 4,-2.8 1,-0.2 5,-0.7 0.894 114.2 49.4 -59.8 -41.5 1.8 -20.5 81.8 48 48 A K H <5S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.2 49.6 -62.5 -40.2 -1.8 -19.1 82.2 49 49 A A H <5S+ 0 0 41 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.1 35.5 -69.9 -34.0 -2.2 -18.8 78.4 50 50 A I H <5S- 0 0 39 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.838 99.7-126.2 -93.1 -33.1 -0.9 -22.3 77.7 51 51 A G T <5S+ 0 0 70 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.536 79.0 69.4 94.3 12.6 -2.4 -24.3 80.7 52 52 A R S - 0 0 9 -2,-1.1 3,-1.6 -11,-0.2 -1,-0.2 0.678 30.3-148.1 -86.4 -22.2 6.3 -23.6 80.3 55 55 A N T 3 S- 0 0 145 1,-0.3 3,-0.1 -12,-0.2 -2,-0.1 0.897 75.9 -50.6 44.0 51.0 9.3 -21.9 81.9 56 56 A G T 3 S+ 0 0 10 -13,-0.3 -39,-1.0 1,-0.2 2,-0.4 0.402 120.7 98.8 79.2 -3.2 9.5 -19.3 79.1 57 57 A V B < +C 16 0B 80 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.928 44.9 179.9-126.4 141.2 9.3 -21.8 76.2 58 58 A I - 0 0 4 -43,-1.7 2,-0.2 -2,-0.4 -30,-0.1 -0.892 26.0-110.2-132.4 162.8 6.5 -23.2 73.9 59 59 A T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.532 31.5-112.7 -85.0 162.9 6.0 -25.6 71.1 60 60 A K H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 119.8 51.9 -60.2 -38.5 5.2 -24.7 67.5 61 61 A D H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 108.4 50.4 -68.4 -36.1 1.7 -26.2 67.9 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.876 110.6 50.9 -66.3 -40.4 1.1 -24.2 71.1 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -34,-0.3 0.897 109.5 49.4 -63.2 -39.6 2.2 -21.0 69.2 64 64 A E H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.869 110.6 50.6 -71.8 -29.2 -0.2 -21.9 66.3 65 65 A K H X S+ 0 0 131 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.948 112.2 46.3 -66.6 -51.9 -3.0 -22.4 68.8 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.918 111.1 55.5 -53.8 -41.2 -2.3 -19.0 70.5 67 67 A F H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.910 106.3 47.5 -63.0 -48.6 -2.1 -17.5 67.0 68 68 A N H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.926 113.8 49.8 -57.3 -43.9 -5.6 -18.7 66.0 69 69 A Q H X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 111.7 47.7 -60.4 -39.6 -6.9 -17.4 69.3 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.864 111.2 48.4 -74.4 -39.3 -5.2 -14.0 68.8 71 71 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.954 112.7 50.1 -66.6 -41.4 -6.4 -13.4 65.2 72 72 A D H X S+ 0 0 28 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.939 110.6 51.0 -60.0 -41.9 -10.0 -14.4 66.3 73 73 A A H X S+ 0 0 56 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.885 107.8 51.8 -62.6 -33.6 -9.6 -11.9 69.2 74 74 A A H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.920 111.8 46.1 -68.8 -45.3 -8.5 -9.1 66.9 75 75 A V H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.960 114.6 46.7 -60.7 -49.9 -11.5 -9.7 64.6 76 76 A R H X S+ 0 0 107 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.884 110.3 55.4 -59.3 -39.7 -13.9 -9.8 67.5 77 77 A G H < S+ 0 0 20 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.915 108.9 46.8 -59.3 -41.8 -12.2 -6.7 69.0 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 7,-0.4 0.938 113.0 48.1 -63.8 -48.6 -12.9 -4.7 65.8 79 79 A L H 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 111.7 49.9 -66.6 -27.4 -16.5 -5.8 65.5 80 80 A R T 3< S+ 0 0 240 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.381 93.3 87.5 -93.7 0.8 -17.3 -5.0 69.1 81 81 A N <> - 0 0 39 -3,-1.3 4,-2.7 -4,-0.3 3,-0.1 -0.909 68.3-149.1-104.2 125.2 -15.8 -1.5 68.9 82 82 A A T 4 S+ 0 0 92 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.753 96.7 46.6 -64.3 -27.7 -18.2 1.2 67.8 83 83 A K T > S+ 0 0 129 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.862 118.6 39.5 -80.4 -37.6 -15.5 3.3 66.2 84 84 A L H > S+ 0 0 7 -7,-0.2 4,-3.1 -6,-0.2 5,-0.3 0.872 102.9 66.2 -81.8 -40.7 -13.7 0.4 64.3 85 85 A K H X S+ 0 0 59 -4,-2.7 4,-3.0 -7,-0.4 5,-0.2 0.914 101.8 44.5 -58.1 -49.4 -16.6 -1.7 63.1 86 86 A P H > S+ 0 0 61 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.872 116.7 48.4 -64.2 -36.8 -18.3 0.8 60.6 87 87 A V H >X S+ 0 0 7 -4,-0.6 4,-0.9 2,-0.2 3,-0.8 0.973 112.6 48.0 -62.7 -52.0 -14.8 1.6 59.2 88 88 A Y H >< S+ 0 0 8 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.912 109.3 52.7 -53.5 -49.0 -13.9 -2.0 58.9 89 89 A D H 3< S+ 0 0 16 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.765 104.4 56.4 -66.4 -22.0 -17.1 -2.9 57.2 90 90 A S H << S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.699 92.0 97.1 -77.2 -20.5 -16.6 -0.1 54.6 91 91 A L S << S- 0 0 3 -3,-1.3 2,-0.1 -4,-0.9 31,-0.0 -0.364 76.7-118.4 -73.9 147.9 -13.1 -1.7 53.6 92 92 A D > - 0 0 49 -2,-0.1 4,-2.2 1,-0.1 -1,-0.1 -0.323 43.6 -89.9 -70.3 169.2 -12.6 -4.1 50.6 93 93 A A H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 3,-0.1 0.886 123.6 45.3 -54.8 -50.8 -11.3 -7.6 51.4 94 94 A V H >> S+ 0 0 3 62,-0.3 4,-1.7 1,-0.2 3,-0.5 0.953 112.5 49.6 -66.3 -43.9 -7.5 -6.9 51.3 95 95 A R H 3> S+ 0 0 23 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.816 103.8 62.2 -62.8 -30.5 -7.7 -3.7 53.3 96 96 A R H 3X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.879 102.3 51.1 -57.8 -43.2 -9.8 -5.7 55.9 97 97 A X H S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.868 125.6 51.7 -59.9 -49.0 -8.1 -2.1 69.7 109 109 A T H > S+ 0 0 129 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.916 110.6 48.5 -59.6 -45.6 -7.6 0.8 72.0 110 110 A G H 4 S+ 0 0 29 -4,-0.4 4,-0.5 2,-0.2 3,-0.4 0.928 115.7 43.1 -58.9 -47.4 -4.5 2.0 70.2 111 111 A V H >< S+ 0 0 4 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.918 109.9 55.9 -69.0 -40.1 -6.1 1.8 66.8 112 112 A A H 3< S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.720 96.3 67.4 -67.1 -21.2 -9.4 3.3 67.8 113 113 A G T 3< S+ 0 0 53 -4,-1.1 2,-2.1 -3,-0.4 -1,-0.3 0.738 78.3 83.2 -67.3 -27.0 -7.6 6.4 69.1 114 114 A F <> + 0 0 74 -3,-1.4 4,-2.1 -4,-0.5 -1,-0.2 -0.442 56.3 165.9 -81.8 66.0 -6.5 7.5 65.6 115 115 A T H > + 0 0 76 -2,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.831 69.8 50.1 -53.6 -43.8 -9.8 9.2 64.9 116 116 A N H > S+ 0 0 98 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 109.2 50.2 -67.9 -42.9 -8.6 11.0 61.8 117 117 A V H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 108.7 53.9 -59.0 -42.7 -7.0 8.0 60.1 118 118 A L H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.948 109.9 46.6 -60.2 -40.9 -10.3 6.0 60.6 119 119 A R H X S+ 0 0 117 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.891 110.6 53.8 -68.5 -38.8 -12.2 8.8 58.9 120 120 A M H <>S+ 0 0 17 -4,-2.4 5,-3.2 1,-0.2 -1,-0.2 0.907 111.0 45.9 -60.5 -39.4 -9.6 8.8 56.1 121 121 A L H ><5S+ 0 0 3 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.929 110.6 51.2 -70.7 -43.5 -10.1 5.1 55.6 122 122 A Q H 3<5S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 112.4 48.5 -61.0 -28.8 -13.9 5.2 55.7 123 123 A Q T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.348 116.6-117.1 -93.7 6.8 -13.7 8.0 53.0 124 124 A K T < 5 + 0 0 107 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.815 62.3 150.5 60.4 37.6 -11.3 5.9 50.9 125 125 A R >< + 0 0 83 -5,-3.2 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-2,-0.2 0.374 87.5 104.9-113.2 -3.5 3.8 9.4 61.2 136 136 A S S <> S- 0 0 8 -3,-1.3 4,-1.9 -4,-0.2 5,-0.1 -0.312 83.0-116.6 -70.9 159.3 2.6 7.2 64.1 137 137 A R H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.839 114.8 63.8 -61.5 -35.6 4.9 6.0 66.9 138 138 A W H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 8,-0.2 0.950 107.4 40.5 -52.4 -53.6 4.0 2.4 65.6 139 139 A Y H 4 S+ 0 0 78 -6,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.929 116.3 49.4 -65.8 -42.6 5.6 3.1 62.3 140 140 A N H < S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 123.9 29.3 -68.5 -34.2 8.6 5.0 63.8 141 141 A Q H < S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.652 132.4 35.2 -96.0 -22.1 9.4 2.3 66.4 142 142 A a X + 0 0 4 -4,-2.5 4,-2.3 -5,-0.4 3,-0.4 -0.328 69.7 147.1-123.6 49.0 8.1 -0.8 64.5 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.844 74.3 47.2 -63.4 -32.4 9.0 0.1 60.9 144 144 A D H 4 S+ 0 0 119 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.825 117.4 42.0 -76.3 -32.9 9.7 -3.4 59.7 145 145 A R H 4 S+ 0 0 45 -3,-0.4 4,-0.2 -7,-0.2 -1,-0.2 0.723 125.5 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-89.4 -20.9 -0.9 -30.8 34.8 218 55 B N T 3 S- 0 0 135 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.917 75.6 -52.0 43.6 51.6 -2.6 -33.8 33.2 219 56 B G T 3 S+ 0 0 9 -13,-0.3 -39,-1.1 1,-0.1 2,-0.4 0.493 120.7 99.0 74.6 2.9 -5.3 -33.8 36.0 220 57 B V B < +F 179 0D 82 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.963 45.1 179.3-130.4 140.8 -2.7 -33.8 38.9 221 58 B I - 0 0 5 -43,-1.6 2,-0.2 -2,-0.4 -30,-0.1 -0.890 26.4-108.8-134.4 163.5 -1.3 -31.0 41.1 222 59 B T > - 0 0 70 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.537 32.2-112.0 -87.2 161.7 1.1 -30.5 44.0 223 60 B K H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 120.1 52.1 -58.4 -39.5 0.2 -29.7 47.6 224 61 B D H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 108.3 50.4 -67.4 -38.0 1.8 -26.3 47.2 225 62 B E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 110.7 50.6 -63.3 -41.8 -0.3 -25.6 44.0 226 63 B A H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -34,-0.3 0.897 109.5 49.8 -63.7 -38.8 -3.4 -26.7 45.9 227 64 B E H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.886 110.4 50.8 -71.6 -31.0 -2.6 -24.3 48.8 228 65 B K H X S+ 0 0 131 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.952 112.0 45.9 -64.1 -51.3 -2.1 -21.5 46.3 229 66 B L H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 110.5 56.7 -56.3 -39.5 -5.5 -22.2 44.6 230 67 B F H X S+ 0 0 16 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.916 106.2 46.7 -62.6 -48.1 -7.0 -22.4 48.1 231 68 B N H X S+ 0 0 16 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.919 113.7 49.9 -59.4 -43.2 -5.9 -18.9 49.1 232 69 B Q H X S+ 0 0 86 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 111.7 48.3 -59.5 -41.6 -7.1 -17.6 45.8 233 70 B D H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.880 111.2 48.0 -72.3 -40.0 -10.5 -19.2 46.3 234 71 B V H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.946 112.6 50.1 -64.1 -42.6 -11.0 -18.0 49.9 235 72 B D H X S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.935 110.6 51.2 -60.3 -44.0 -10.1 -14.5 48.8 236 73 B A H X S+ 0 0 56 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.891 108.0 51.3 -60.6 -32.9 -12.6 -14.9 45.9 237 74 B A H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 112.1 46.2 -70.4 -44.7 -15.4 -16.0 48.2 238 75 B V H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.965 114.8 46.8 -61.7 -47.4 -14.8 -13.0 50.5 239 76 B R H X S+ 0 0 111 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.892 109.8 55.9 -60.5 -41.0 -14.6 -10.6 47.6 240 77 B G H < S+ 0 0 20 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.906 108.7 47.0 -58.1 -43.7 -17.8 -12.2 46.1 241 78 B I H >< S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.2 7,-0.4 0.944 112.6 47.5 -62.9 -49.8 -19.7 -11.6 49.3 242 79 B L H 3< S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.797 111.9 50.6 -67.8 -24.0 -18.7 -8.0 49.6 243 80 B R T 3< S+ 0 0 237 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.445 93.4 86.9 -91.7 -2.8 -19.5 -7.2 46.0 244 81 B N <> - 0 0 38 -3,-1.2 4,-2.7 -4,-0.5 3,-0.1 -0.882 68.7-149.0-102.2 126.6 -23.0 -8.7 46.2 245 82 B A T 4 S+ 0 0 91 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.760 96.6 46.8 -67.7 -25.1 -25.7 -6.3 47.3 246 83 B K T > S+ 0 0 130 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.869 118.3 39.6 -80.3 -38.7 -27.8 -9.0 48.9 247 84 B L H > S+ 0 0 7 -7,-0.2 4,-3.2 -6,-0.2 5,-0.3 0.864 102.7 66.9 -82.2 -38.3 -24.9 -10.8 50.8 248 85 B K H X S+ 0 0 57 -4,-2.7 4,-2.9 -7,-0.4 5,-0.2 0.915 101.4 43.7 -57.4 -51.4 -22.8 -7.8 52.0 249 86 B P H > S+ 0 0 58 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.877 116.8 49.1 -64.3 -35.5 -25.2 -6.2 54.6 250 87 B V H >X S+ 0 0 5 -4,-0.6 4,-0.9 2,-0.2 3,-0.7 0.969 112.3 47.8 -64.3 -49.2 -26.1 -9.7 55.9 251 88 B Y H >< S+ 0 0 8 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.922 109.7 52.2 -58.0 -47.1 -22.5 -10.6 56.2 252 89 B D H 3< S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.756 104.3 57.0 -66.9 -22.9 -21.6 -7.3 57.9 253 90 B S H << S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.692 92.4 96.9 -75.2 -20.3 -24.3 -7.9 60.5 254 91 B L S << S- 0 0 4 -3,-1.3 2,-0.1 -4,-0.9 31,-0.0 -0.376 76.6-117.9 -75.3 146.8 -22.8 -11.3 61.5 255 92 B D > - 0 0 46 -2,-0.1 4,-2.2 1,-0.1 -1,-0.1 -0.302 43.2 -90.6 -67.2 168.3 -20.4 -11.9 64.5 256 93 B A H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.881 123.7 44.4 -53.7 -51.7 -16.9 -13.2 63.7 257 94 B V H >> S+ 0 0 2 62,-0.3 4,-1.7 1,-0.2 3,-0.5 0.948 113.0 50.1 -66.2 -46.1 -17.5 -16.9 63.8 258 95 B R H 3> S+ 0 0 23 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.813 103.7 61.7 -59.7 -31.8 -20.8 -16.8 61.8 259 96 B R H 3X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.3 0.892 102.4 51.1 -58.1 -44.4 -18.8 -14.7 59.2 260 97 B X H S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.885 124.9 52.8 -59.3 -49.2 -22.3 -16.4 45.4 272 109 B T H > S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.929 110.4 46.7 -57.4 -48.7 -25.3 -16.8 43.1 273 110 B G H >> S+ 0 0 29 -4,-0.4 4,-0.5 2,-0.2 3,-0.5 0.923 115.8 44.5 -59.4 -46.2 -26.6 -19.9 44.8 274 111 B V H >< S+ 0 0 5 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.921 109.7 55.4 -68.6 -40.5 -26.3 -18.4 48.3 275 112 B A H 3< S+ 0 0 11 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.723 96.8 67.3 -64.5 -22.1 -27.8 -15.1 47.3 276 113 B G H << S+ 0 0 53 -4,-1.1 2,-2.2 -3,-0.5 -1,-0.3 0.750 78.5 82.9 -66.6 -27.8 -30.9 -16.9 46.0 277 114 B F + 0 0 77 -2,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.821 70.0 50.2 -52.7 -42.2 -33.6 -14.7 50.2 279 116 B N H > S+ 0 0 95 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 109.0 50.4 -70.7 -41.1 -35.5 -15.9 53.3 280 117 B V H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.870 108.7 53.4 -60.0 -42.1 -32.4 -17.4 55.0 281 118 B L H X S+ 0 0 15 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.931 109.9 47.4 -60.9 -41.2 -30.5 -14.2 54.5 282 119 B R H X S+ 0 0 118 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.887 110.6 52.6 -65.8 -40.4 -33.3 -12.3 56.2 283 120 B M H <>S+ 0 0 16 -4,-2.3 5,-3.2 2,-0.2 -1,-0.2 0.903 111.2 46.6 -63.2 -38.5 -33.3 -14.8 59.0 284 121 B L H ><5S+ 0 0 4 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.936 110.6 51.3 -70.3 -42.8 -29.5 -14.4 59.5 285 122 B Q H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 112.2 48.2 -62.2 -27.9 -29.7 -10.6 59.4 286 123 B Q T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.334 116.1-117.5 -95.5 6.8 -32.5 -10.8 62.1 287 124 B K T < 5 + 0 0 105 -3,-1.7 2,-1.3 1,-0.2 -3,-0.2 0.825 62.1 150.6 61.6 35.3 -30.4 -13.2 64.2 288 125 B R >< + 0 0 83 -5,-3.2 4,-2.9 1,-0.2 5,-0.2 -0.628 13.0 164.8 -95.2 71.0 -33.0 -16.0 63.8 289 126 B W H > + 0 0 45 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.884 67.2 47.9 -66.4 -40.7 -30.3 -18.7 64.1 290 127 B D H > S+ 0 0 85 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 115.4 44.9 -68.2 -39.0 -32.6 -21.6 64.8 291 128 B E H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.931 112.4 51.9 -71.8 -43.1 -34.9 -20.8 62.0 292 129 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.923 112.4 47.0 -55.1 -46.3 -32.0 -20.1 59.6 293 130 B A H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.901 109.6 51.7 -66.0 -44.4 -30.5 -23.5 60.5 294 131 B V H < S+ 0 0 73 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.916 112.9 47.6 -53.6 -44.9 -33.8 -25.4 60.1 295 132 B N H >< S+ 0 0 65 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.894 110.0 49.7 -69.5 -40.4 -34.2 -23.8 56.6 296 133 B L H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.3 6,-0.5 0.824 102.7 61.7 -63.0 -35.4 -30.6 -24.6 55.5 297 134 B A T 3< S+ 0 0 37 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.418 102.9 53.8 -73.4 1.3 -31.1 -28.2 56.6 298 135 B K T < S+ 0 0 153 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.366 87.4 105.5-112.7 -3.3 -33.9 -28.3 53.9 299 136 B S S <> S- 0 0 7 -3,-1.4 4,-1.9 -4,-0.2 5,-0.1 -0.311 82.8-116.9 -70.9 159.6 -31.7 -27.1 51.0 300 137 B R H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.839 115.0 63.7 -61.5 -35.2 -30.5 -29.3 48.2 301 138 B W H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 8,-0.2 0.950 107.4 40.5 -52.6 -53.9 -26.9 -28.5 49.5 302 139 B Y H 4 S+ 0 0 79 -6,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.930 116.3 49.4 -65.4 -42.2 -27.6 -30.1 52.8 303 140 B N H < S+ 0 0 108 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.855 124.1 29.0 -69.2 -35.0 -29.4 -33.1 51.3 304 141 B Q H < S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.677 132.3 35.7 -93.3 -23.9 -26.8 -33.9 48.7 305 142 B b X + 0 0 4 -4,-2.6 4,-2.3 -5,-0.4 3,-0.4 -0.333 69.6 147.0-122.2 49.2 -23.7 -32.6 50.6 306 143 B P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.839 74.3 46.8 -64.4 -31.5 -24.6 -33.5 54.2 307 144 B D H 4 S+ 0 0 120 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.821 117.4 42.5 -77.4 -32.0 -21.1 -34.2 55.4 308 145 B R H 4 S+ 0 0 46 -3,-0.4 4,-0.2 -7,-0.2 -1,-0.2 0.723 125.3 36.3 -79.4 -25.7 -19.7 -30.9 53.8 309 146 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 -8,-0.2 3,-0.5 0.764 93.9 80.0 -98.4 -30.2 -22.7 -28.9 55.0 310 147 B K H X S+ 0 0 98 -4,-2.2 4,-2.0 -5,-0.3 5,-0.1 0.848 96.6 44.5 -54.2 -46.1 -23.7 -30.2 58.5 311 148 B R H > S+ 0 0 50 -4,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.840 110.6 54.6 -72.1 -35.0 -21.0 -28.4 60.5 312 149 B V H > S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.2 -2,-0.2 0.930 109.3 47.7 -62.4 -47.3 -21.5 -25.1 58.6 313 150 B I H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 111.8 49.8 -58.8 -43.7 -25.2 -25.1 59.5 314 151 B T H X S+ 0 0 68 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.889 108.0 55.0 -66.2 -36.1 -24.5 -25.9 63.1 315 152 B T H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.887 106.2 50.3 -63.6 -43.3 -22.0 -23.1 63.2 316 153 B F H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.4 50.0 -57.3 -36.2 -24.7 -20.7 62.0 317 154 B R H < S+ 0 0 129 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.950 124.2 24.0 -68.9 -45.3 -26.9 -22.0 64.7 318 155 B T H < S- 0 0 66 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.743 83.8-137.7-101.1 -26.7 -24.5 -21.7 67.6 319 156 B G < + 0 0 15 -4,-2.7 -62,-0.3 1,-0.3 2,-0.3 0.688 69.8 103.5 73.8 14.4 -21.9 -19.0 66.7 320 157 B T S S- 0 0 52 -6,-0.2 3,-0.4 -5,-0.2 -1,-0.3 -0.775 78.7-121.2-121.8 170.6 -19.0 -21.2 68.1 321 158 B W S > S+ 0 0 38 -2,-0.3 3,-2.2 1,-0.2 4,-0.1 0.295 76.7 113.4 -89.6 2.6 -16.3 -23.3 66.6 322 159 B D G > + 0 0 120 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.733 64.6 63.2 -53.8 -28.4 -17.5 -26.5 68.5 323 160 B A G 3 S+ 0 0 33 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.695 103.7 50.9 -74.3 -11.0 -18.6 -28.4 65.4 324 161 B Y G < 0 0 17 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.275 360.0 360.0-103.8 7.3 -14.9 -28.4 64.2 325 162 B K < 0 0 203 -3,-1.4 -3,-0.0 -4,-0.1 0, 0.0 -0.762 360.0 360.0 -95.7 360.0 -13.5 -29.7 67.5